SCHEMBL2628869

SCHEMBL2628869

Cc1cnc(Cl)c2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.53
PRKCI P41743 2/20 0.53
DYRK1A Q13627 1/20 0.44
AHR P35869 1/20 0.34
CCR8 P51685 2/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 2/20 0.32
CFB P00751 3/20 0.31
AURKA O14965 1/20 0.31
TPX2 Q9ULW0 1/20 0.31
CSNK1D P48730 1/20 0.31
MAPK14 Q16539 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18479114 0.85 AXL (0.53) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL30110643 0.85 AXL (0.53) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL12491412 0.80 DYRK1A (0.47) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL2628879 0.80 PRKCI (0.47) AXLPRKCIDYRK1ACCR8CCR1
SCHEMBL9942629 0.77 DYRK1A (0.44) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL31279052 0.77 DYRK1A (0.44) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL31452765 0.77 DYRK1A (0.44) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL1763755 0.77 DYRK1A (0.44) AXLPRKCIDYRK1AAHRCCR8
SCHEMBL21986162 0.77 AXL (0.44) AXLPRKCICCR8CCR1CCR5
SCHEMBL1763343 0.77 DYRK1A (0.44) AXLPRKCIDYRK1AAHRCCR8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS XENON PHARMACEUTICALS INC. (CA) 2024-03-28 US disclosed
WO-2023072962-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-05-04 WO disclosed
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. (US) 2017-06-22 US disclosed
US-9567339-B2 Primary carboxamides as BTK inhibitors ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 US disclosed
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-04-24 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348337-B2 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
EP-1725569-B1 PRODRUGS OF PIPERAZINE AND SUBSTITUTED PIPERIDINE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2008-01-23 EP disclosed
EP-1474135-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2007-11-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 AXL 2802/4885PRKCI 1799/4885DYRK1A 3988/4885
US-20080096912-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC PYRROLIDINE DERIVATIVES IDO1, IDO2, INMT AXL 1344/4885PRKCI 2885/4885DYRK1A 3821/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 AXL 4184/4885PRKCI 2009/4885DYRK1A 4382/4885
US-20240101531-A1 PYRIDINAMINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNA1, KCNB1, KCNB2 AXL 2891/4885PRKCI 3568/4885DYRK1A 713/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 AXL 2802/4885PRKCI 1799/4885DYRK1A 3988/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 AXL 3460/4885PRKCI 1591/4885DYRK1A 4605/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 AXL 4184/4885PRKCI 2009/4885DYRK1A 4382/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP AXL 3999/4885PRKCI 1970/4885DYRK1A 4442/4885
US-20170174624-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 AXL 97/4885PRKCI 227/4885DYRK1A 184/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.